ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate

C9H13N3O2S — CID 723916

IUPACethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(C)nc(N)n1
InChIInChI=1S/C9H13N3O2S/c1-3-14-8(13)5-15-7-4-6(2)11-9(10)12-7/h4H,3,5H2,1-2H3,(H2,10,11,12)
InChIKeyPZQODSJREVUUEZ-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.02
Rot. Bonds4

About ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate

ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate (PubChem CID 723916) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
PubChem CID723916
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Nameethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(C)nc(N)n1
InChIInChI=1S/C9H13N3O2S/c1-3-14-8(13)5-15-7-4-6(2)11-9(10)12-7/h4H,3,5H2,1-2H3,(H2,10,11,12)
InChIKeyPZQODSJREVUUEZ-UHFFFAOYSA-N
XLogP1.02
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
CID 809277
Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester
CID 604644
N-[4-methyl-6-(methylthio)pyrimidin-2-yl]acetamide
CID 742810
(4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester
CID 2179971
Pyrimidin-2-amine, 15
CID 44220304
4-(Butylsulfanyl)-6-methylpyrimidin-2-amine
CID 237930
(2-Acetylamino-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid ethyl ester
CID 655986
Methyl {[6-methyl-2-(methylthio)-4-pyrimidinyl]thio}acetate
CID 976346
(2-Acetylamino-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid methyl ester
CID 652992
(6-Methyl-2-propionylamino-pyrimidin-4-ylsulfanyl)-acetic acid methyl ester
CID 652134
Ethyl 2-(2-amino-5-bromo-6-methylpyrimidin-4-yl)sulfanylacetate
CID 704659
Methyl [(2-amino-5-bromo-6-methylpyrimidin-4-yl)sulfanyl]acetate
CID 658012

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate (CID 723916) is ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate is CCOC(=O)CSc1cc(C)nc(N)n1.
What is the InChIKey of ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is PZQODSJREVUUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-3-14-8(13)5-15-7-4-6(2)11-9(10)12-7/h4H,3,5H2,1-2H3,(H2,10,11,12).
What are the key properties of ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate?
ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 227.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 723916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).